(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol

C6H10O4 — CID 68732339

IUPAC(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
SMILESO[C@@H]1[C@@H](O)C[C@@H]2OC[C@H]1O2
InChIInChI=1S/C6H10O4/c7-3-1-5-9-2-4(10-5)6(3)8/h3-8H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyKBSZGCLBGUKOON-SLPGGIOYSA-N
MW146.14 g/mol
LogP-1.15
Rot. Bonds

About (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol

(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol (PubChem CID 68732339) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol.

Molecular Properties

Compound Name(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
PubChem CID68732339
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
SMILESO[C@@H]1[C@@H](O)C[C@@H]2OC[C@H]1O2
InChIInChI=1S/C6H10O4/c7-3-1-5-9-2-4(10-5)6(3)8/h3-8H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyKBSZGCLBGUKOON-SLPGGIOYSA-N
XLogP-1.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol?
The IUPAC name of (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol (CID 68732339) is (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol.
What is the SMILES notation for (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol?
The canonical SMILES for (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol is O[C@@H]1[C@@H](O)C[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol?
The InChIKey is KBSZGCLBGUKOON-SLPGGIOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-1-5-9-2-4(10-5)6(3)8/h3-8H,1-2H2/t3-,4+,5+,6+/m0/s1.
What are the key properties of (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol?
(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol has a molecular weight of 146.14 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol is sourced from PubChem (CID 68732339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).